Rosetta 3.4
Public Types | Public Member Functions
core::scoring::Ramachandran Class Reference

#include <Ramachandran.hh>

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List of all members.

Public Types

typedef pose::Pose Pose
typedef chemical::AA AA

Public Member Functions

 Ramachandran ()
 ~Ramachandran ()
Real eval_rama_score_residue (AA const res_aa, Real const phi, Real const psi) const
void eval_rama_score_residue (conformation::Residue const &res, Real &rama, Real &drama_dphi, Real &drama_dpsi) const
void eval_rama_score_residue (AA const res_aa, Real const phi, Real const psi, Real &rama, Real &drama_dphi, Real &drama_dpsi) const
void random_phipsi_from_rama (AA const res_aa, Real &phi, Real &psi) const
void eval_rama_score_all (Pose &pose, ScoreFunction const &scorefxn) const
 evaluate rama score for each (protein) residue and store that score in the pose.energies() object
void write_rama_score_all (Pose const &pose) const
void eval_procheck_rama (Pose const &a_pose, Real &favorable, Real &allowed, Real &generous) const

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::Ramachandran::Ramachandran ( )
core::scoring::Ramachandran::~Ramachandran ( ) [inline]

Member Function Documentation

void core::scoring::Ramachandran::eval_procheck_rama ( Pose const &  a_pose,
Real favorable,
Real allowed,
Real generous 
) const
void core::scoring::Ramachandran::eval_rama_score_all ( pose::Pose pose,
ScoreFunction const &  scorefxn 
) const
Real core::scoring::Ramachandran::eval_rama_score_residue ( AA const  res_aa,
Real const  phi,
Real const  psi 
) const
void core::scoring::Ramachandran::eval_rama_score_residue ( conformation::Residue const &  res,
Real rama,
Real drama_dphi,
Real drama_dpsi 
) const
void core::scoring::Ramachandran::eval_rama_score_residue ( AA const  res_aa,
Real const  phi,
Real const  psi,
Real rama,
Real drama_dphi,
Real drama_dpsi 
) const

References core::scoring::rama.

void core::scoring::Ramachandran::random_phipsi_from_rama ( AA const  res_aa,
Real phi,
Real psi 
) const

Sample phi/psi torsions with probabilities proportionate to their Ramachandran probabilities Note -- this function had previously required that the option loops::nonpivot_torsion_sampling be active. This function now performs a just-in-time check to initialize these tables the first time they are requested -- To properly multi-thread this code, the function should nab a mutex so that no two threads try to execute the code at once.

Referenced by protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::perturb_chain().

void core::scoring::Ramachandran::write_rama_score_all ( Pose const &  pose) const

The documentation for this class was generated from the following files:
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